(Q56919364)

English

Machine learning for quantum mechanics in a nutshell

scholarly article by Matthias Rupp published 4 July 2015 in International Journal of Quantum Chemistry

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Machine learning for quantum mechanics in a nutshell (English)

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Matthias Rupp

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publication date

4 July 2015

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published in

International Journal of Quantum Chemistry

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volume

115

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issue

16

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page(s)

1058-1073

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cites work

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

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https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

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11 September 2021

The Problem of Overfitting

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12 September 2021

The Blue Obelisk-interoperability in chemical informatics

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https://opencitations.net/index/coci/api/v1/citations/10.1021/CI050400B

retrieved

30 October 2021

QSAR applicabilty domain estimation by projection of the training set descriptor space: a review

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reference URL

https://opencitations.net/index/api/v1/citations/10.1177/026119290503300508

retrieved

18 January 2024

Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52

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https://opencitations.net/index/api/v1/citations/10.1177/026119290503300209

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18 January 2024

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10.1002/QUA.24954

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(Q56919364)

Machine learning for quantum mechanics in a nutshell

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